J/MNRAS/425/34 ExoMol line lists for BeH, MgH and CaH (Yadin+, 2012)
ExoMol line lists.
I: The rovibrational spectrum of BeH, MgH and CaH in the X 2Sigma+ state.
Yadin B., Veness T., Conti P., Hill C., Yurchenko S.N., Tennyson J.
<Mon. Not. R. Astron. Soc. 425, 34 (2012)>
=2012MNRAS.425...34Y 2012MNRAS.425...34Y
ADC_Keywords: Atomic physics ; Models, atmosphere ; Spectra, infrared ;
Spectra, ultraviolet
Keywords: molecular data - opacity - astronomical data bases: miscellaneous -
planets and satellites: atmospheres - stars: low-mass
Abstract:
Accurate line lists for three molecules, BeH, MgH and CaH, in their
ground electronic states are presented. These line lists are suitable
for temperatures relevant to exoplanetary atmospheres and cool stars
(up to 2000K). A combination of empirical and ab initio methods is
used. The rovibrational energy levels of BeH, MgH and CaH are computed
using the programs Level and DPotFit in conjunction with
'spectroscopic' potential energy curves (PECs). The PEC of BeH is
taken from the literature, while the PECs of CaH and MgH are generated
by fitting to the experimental transition energy levels. Both
spin-rotation interactions (except for BeH, for which it is
negligible) and non-adiabatic corrections are explicitly taken into
account. Accurate line intensities are generated using newly computed
ab initio dipole moment curves for each molecule using high levels of
theory. Full line lists of rotation-vibration transitions for 9BeH,
24MgH, 25MgH, 26MgH and ^40CaH are made available in an
electronic form as supplementary data to this article and at
www.exomol.com .
Description:
Each file contains transitions for a given species ordered by
increasing frequency and represented by the transition frequency
(cm-1), Einstein coefficient (s-1), energy term value of the lower
state (cm-1), quantum numbers labelling the upper and lower states.
The ro-vibrational states are labelled with the rotational angular
momentum N, rotationless parity e/f, and the vibrational quantum
number v.
File Summary:
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FileName Lrecl Records Explanations
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ReadMe 80 . This file
beh.dat 50 3968 The line lists for BeH
cah.dat 54 24845 The line lists for CaH
mgh-24.dat 54 6716 The line lists for 24MgH
mgh-25.dat 54 6751 The line lists for 25MgH
mgh-26.dat 54 6754 The line lists for 26MgH
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See also:
J/MNRAS/425/34 : ExoMol line lists. I. BeH, MgH and CaH (Yadin+, 2012)
J/MNRAS/434/1469 : ExoMol line lists for SiO (Barton+, 2013)
J/MNRAS/437/1828 : ExoMol line list for HCN and HNC (Barber+, 2014)
J/MNRAS/440/1649 : ExoMol line list for CH4 (Yurchenko+, 2014)
J/MNRAS/442/1821 : ExoMol line list for NaCl and KCl (Barton+, 2014)
J/MNRAS/445/1383 : ExoMol line list for PN (Yorke+, 2014)
J/MNRAS/446/2337 : ExoMol line list for PH3 (Sousa-Silva+, 2015)
J/MNRAS/448/1704 : ExoMol line lists for H2CO (Al-Refaie+, 2015)
J/MNRAS/449/3613 : ExoMol line lists for AlO (Patrascu+, 2015)
J/MNRAS/451/5153 : ExoMol line lists for NaH and NaD (Rivlin+, 2015)
www.exomol.com : ExoMol Home Page
Byte-by-byte Description of file: beh.dat
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Bytes Format Units Label Explanations
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1- 12 F12.6 cm-1 nu Transition frequency ν
14- 25 E12.7 s-1 A Einstein A coefficient of transition
27- 38 F12.6 cm-1 E Energy term value of the lower state
40- 41 I2 --- N' [0/59] Rotational angular momentum, upper state
43- 44 I2 --- v' [0/11] Vibrational quantum number, upper state
46- 47 I2 --- N" [0/58] Rotational angular momentum, lower state
49- 50 I2 --- v" [0/11] Vibrational quantum number, lower state
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Byte-by-byte Description of file: cah.dat mgh-24.dat mgh-25.dat mgh-26.dat
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Bytes Format Units Label Explanations
--------------------------------------------------------------------------------
1- 12 F12.6 cm-1 nu Transition frequency
14- 25 E12.7 s-1 A Einstein A coefficient of transition
27- 38 F12.6 cm-1 E Energy term value of the lower state
40- 41 I2 --- N' [0/75] Rotational angular momentum, upper state
43 A1 --- p' [e/f] Rotationless parity, upper state
45- 46 I2 --- v' [0/20] Vibrational quantum number, upper state
48- 49 I2 --- N" [0/75] Rotational angular momentum, lower state
51 A1 --- p" [e/f] Rotationless parity, lower state
53- 54 I2 --- v" [0/20] Vibrational quantum number, lower state
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Acknowledgements:
Jonathan Tennyson, j.tennyson(at)ucl.ac.uk
Sergei N. Yurchenko, s.yurchenko(at)chemie.tu-dresden.de
Christian Hill, christian.hill(at)ucl.ac.uk
References:
Yadin et al., Paper I 2012MNRAS.425...34Y 2012MNRAS.425...34Y, Cat. J/MNRAS/425/34
Barton et al., Paper II 2013MNRAS.434.1469B 2013MNRAS.434.1469B, Cat. J/MNRAS/434/1469
Barber et al., Paper III 2014MNRAS.437.1828B 2014MNRAS.437.1828B, Cat. J/MNRAS/427/1828
Yurchenko et al., Paper IV 2014MNRAS.440.1649Y 2014MNRAS.440.1649Y, Cat. J/MNRAS/440/1649
Barton et al., Paper V 2014MNRAS.442.1821B 2014MNRAS.442.1821B, Cat. J/MNRAS/442/1821
Yorke et al., Paper VI 2014MNRAS.445.1383Y 2014MNRAS.445.1383Y, Cat. J/MNRAS/445/1383
Sousa-Silva et al., Paper VII 2015MNRAS.446.2337A 2015MNRAS.446.2337A, Cat. J/MNRAS/446/2337
Al-Refaie et al., Paper VIII 2015MNRAS.448.1704A 2015MNRAS.448.1704A, Cat. J/MNRAS/448/1704
Patrascu et al., Paper IX 2015MNRAS.449.3613P 2015MNRAS.449.3613P, Cat. J/MNRAS/449/3613
Rivlin et al., Paper X 2015MNRAS.451.5153R 2015MNRAS.451.5153R, Cat. J/MNRAS/451/5153
(End) Sergei Yurchenko [Univ. Col. London], Patricia Vannier [CDS] 07-May-2012